2-(2-Nitrophenyl)-3,1-benzoxazin-4-one
TL;DR: 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one (CAS 5233-45-4) is a chemical compound with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)-3,1-benzoxazin-4-one
Also Known As: 2-(2-nitrophenyl)-3,1-benzoxazin-4-one, 2-(2-nitrophenyl)-4H-3,1-benzoxazin-4-one, 2-(2-Nitrophenyl)-4H-benzo[d][1,3]oxazin-4-one, 2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one, BAS 00333160
| Molecular Formula | C14H8N2O4 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.0484 |
| Heavy Atoms | 20 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 5233-45-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | DWCFIKGNUJGZBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Nitrophenyl)-3,1-benzoxazin-4-one (CAS 5233-45-4), with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol. IUPAC: 2-(2-nitrophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one
Property Insights of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one?
The CAS number of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one is 5233-45-4.
What is the molecular formula of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one?
The molecular formula of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one is C14H8N2O4.
What is the molecular weight of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one?
The molecular weight of 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one is 268.05 g/mol.
Where can I buy 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one?
You can request a quote for 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrophenyl)-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.